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    BUILDING BLOCK

    PharmaCompass

    Chemistry

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    Also known as: 1150617-92-7, 2-chloro-5h-cyclopenta[b]pyridin-7(6h)-one, 2-chloro-5h,6h,7h-cyclopenta[b]pyridin-7-one, 2-chloro-5,6-dihydro-7h-cyclopenta[b]pyridin-7-one, Mfcd12024557, Schembl527664
    Molecular Formula
    C8H6ClNO
    Molecular Weight
    167.59  g/mol
    InChI Key
    LFTCYZANBKFQRY-UHFFFAOYSA-N
    CAS 1150617-92-7
    1 2D Structure

    CAS 1150617-92-7

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-chloro-5,6-dihydrocyclopenta[b]pyridin-7-one
    2.1.2 InChI
    InChI=1S/C8H6ClNO/c9-7-4-2-5-1-3-6(11)8(5)10-7/h2,4H,1,3H2
    2.1.3 InChI Key
    LFTCYZANBKFQRY-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CC(=O)C2=C1C=CC(=N2)Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 1150617-92-7

    2. 2-chloro-5h-cyclopenta[b]pyridin-7(6h)-one

    3. 2-chloro-5h,6h,7h-cyclopenta[b]pyridin-7-one

    4. 2-chloro-5,6-dihydro-7h-cyclopenta[b]pyridin-7-one

    5. Mfcd12024557

    6. Schembl527664

    7. Dtxsid50654037

    8. Lftcyzanbkfqry-uhfffaoysa-n

    9. Akos015918772

    10. Bs-50215

    11. Sy156579

    12. Cs-0308842

    13. Ft-0651615

    14. C91067

    15. En300-135486

    16. A803322

    17. 7h-cyclopenta[b]pyridin-7-one, 2-chloro-5,6-dihydro-

    18. Z1255439731

    2.3 Create Date
    2009-05-30
    3 Chemical and Physical Properties
    Molecular Weight 167.59 g/mol
    Molecular Formula C8H6ClNO
    XLogP31.9
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count0
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area30
    Heavy Atom Count11
    Formal Charge0
    Complexity183
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

    BUILDING BLOCK

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